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CHEBI:18146 - (R)-canadine

ChEBI IDCHEBI:18146
ChEBI Name(R)-canadine
Stars
ASCII Name(R)-canadine
DefinitionA canadine which has R configuration.
Secondary ChEBI IDsCHEBI:337, CHEBI:10998
Last Modified13 November 2017
DownloadsMolfile
FormulaC20H21NO4
Net Charge0
Average Mass339.391
Monoisotopic Mass339.14706
SMILES[H][C@]12Cc3ccc(OC)c(OC)c3CN1CCc1cc3c(cc12)OCO3
InChIInChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1
InChIKeyVZTUIEROBZXUFA-MRXNPFEDSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(R)-canadine (CHEBI:18146) is a canadine (CHEBI:22998)
(R)-canadine (CHEBI:18146) is enantiomer of (S)-canadine (CHEBI:16592)
Incoming Relation(s)
(S)-canadine (CHEBI:16592) is enantiomer of (R)-canadine (CHEBI:18146)
IUPAC Name 
(13aR)-9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline
Synonym  Source
(R)-CanadineKEGG COMPOUND
UniProt Name  Source
(R)-canadineUniProt
Manual XrefsDatabases
C11818KEGG COMPOUND
Registry NumbersSources
Beilstein:96685Beilstein